SCHEMBL8701245

SCHEMBL8701245

CC(=O)N1CCCCC1C(=O)NNS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
GFER P55789 1/20 0.52
ALOX15 P16050 2/20 0.52
ALDH1A1 P00352 4/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 1/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
HCRTR1 O43613 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.48
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8696373 0.76 KAT6A (0.48) ALDH1A1GAALMNAHCRTR1KMT2A
SCHEMBL8701236 0.74 HPGD (0.55) TSHRGFERALOX15ALDH1A1HPGD
SCHEMBL9225350 0.71 TSHR (0.54) TSHRGFERALOX15ALDH1A1GAA
Hydrochloric Acid SCHEMBL7298291 0.71 TSHR (0.53) TSHRGFERALOX15ALDH1A1GAA
SCHEMBL7296629 0.69 HPGD (0.49) TSHRGFERALOX15ALDH1A1GAA
SCHEMBL3137764 0.69 TRPV1 (0.54) TSHRALOX15ALDH1A1GAAHPGD
Bicarbonate SCHEMBL15225983 0.69 ALDH1A1 (0.90) TSHRGFERALDH1A1GAAHPGD
SCHEMBL5723290 0.68 SMN1; SMN2 (0.50) TSHRGFERALOX15ALDH1A1GAA
SCHEMBL15225714 0.68 ALDH1A1 (1.00) TSHRGFERALOX15ALDH1A1LMNA
SCHEMBL8699376 0.67 HTR6 (0.43) TSHRGFERALOX15ALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741799-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed
US-5741792-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed